methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C14H18BrNO4S MolecularWeight: 376.26602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C14H18BrNO4S/c1-8-5-12(9(2)4-10(8)15)21-7-13(18)16-11(6-17)14(19)20-3/h4-5,11,17H,6-7H2,1-3H3,(H,16,18)